4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide

C28H32N6O2 — CID 127045876

IUPAC4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
SMILESCN(C)C1(C(=O)Nc2cccc(-c3ccco3)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1
InChIInChI=1S/C28H32N6O2/c1-33(2)28(27(35)31-20-8-5-7-19(17-20)23-11-6-16-36-23)12-14-34(15-13-28)26-24-21-9-3-4-10-22(21)32-25(24)29-18-30-26/h5-8,11,16-18H,3-4,9-10,12-15H2,1-2H3,(H,31,35)(H,29,30,32)
InChIKeyNSIGCPZYQUUXPW-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.64
Rot. Bonds5

About 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide

4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide (PubChem CID 127045876) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
PubChem CID127045876
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
SMILESCN(C)C1(C(=O)Nc2cccc(-c3ccco3)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1
InChIInChI=1S/C28H32N6O2/c1-33(2)28(27(35)31-20-8-5-7-19(17-20)23-11-6-16-36-23)12-14-34(15-13-28)26-24-21-9-3-4-10-22(21)32-25(24)29-18-30-26/h5-8,11,16-18H,3-4,9-10,12-15H2,1-2H3,(H,31,35)(H,29,30,32)
InChIKeyNSIGCPZYQUUXPW-UHFFFAOYSA-N
XLogP4.64
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide (CID 127045876) is 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide is CN(C)C1(C(=O)Nc2cccc(-c3ccco3)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
The InChIKey is NSIGCPZYQUUXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-33(2)28(27(35)31-20-8-5-7-19(17-20)23-11-6-16-36-23)12-14-34(15-13-28)26-24-21-9-3-4-10-22(21)32-25(24)29-18-30-26/h5-8,11,16-18H,3-4,9-10,12-15H2,1-2H3,(H,31,35)(H,29,30,32).
What are the key properties of 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(furan-2-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 127045876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).